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mirror of https://git.FreeBSD.org/ports.git synced 2024-11-21 00:25:50 +00:00
freebsd-ports/science
Yuri Victorovich 00b8d23b3b science/tinker: Update 8.9.2 -> 8.9.3
Reported by:	portscout

(cherry picked from commit c93ac040ab)
2021-08-17 01:22:38 -07:00
..
2d-rewriter
abinit science/abinit: Remove PY_PYGMENTS 2021-06-21 00:16:17 +08:00
afni science/afni: update to 21.1.20 2021-06-29 22:45:33 +02:00
agrum science/agrum: Update 0.20.2 -> 0.20.3 2021-06-11 17:19:55 -07:00
aircraft-datcom
ALPSCore
antioch math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
apbs
atompaw
avogadro2 graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
avogadrolibs graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
axom science/axom: Update 0.4.0 -> 0.5.0 2021-05-16 09:15:43 -07:00
bagel
bddsolve
berkeleygw
bodr
buddy
cdcl
cdf
cdk
cdo
cgnslib graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
cgribex science/cgribex: Simplify Makefile 2021-05-12 05:47:00 +08:00
checkmol
chemical-mime-data
chemps2
chemtool
chemtool-devel
chrono
clhep
clipper
code_saturne science/code_saturne: upgrade to 7.0 2021-06-18 17:56:36 +02:00
colt
conduit science/conduit: Update 0.7.1 -> 0.7.2 2021-05-19 23:02:27 -07:00
coordgenlibs science/coordgenlibs: Update 1.4.2 -> 2.0.3 2021-06-11 02:57:59 -07:00
cp2k
cp2k-data
crf++
csvtk science/csvtk: Cross-platform and ultrafast toolkit for CSV/TSV processing 2021-06-18 16:28:21 -05:00
dakota math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
dalton
dcl
devisor
dftbplus science/dftbplus: fix BROKEN message 2021-05-25 11:06:44 +00:00
dkh
dlib-cpp
drawxtl graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
dvc
eccodes science/eccodes: Update to 2.22.0 2021-06-10 22:45:59 +08:00
elk science/elk: Update 7.1.14 -> 7.2.42 2021-06-14 11:26:02 -07:00
elmerfem graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
epte
erd
ergo
erkale math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
erkale-pseudopotentials
fastcap
fasthenry
fastjet
fisicalab math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
frontistr
fsom
fvcom
fvcom-mpi
gabedit graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
gamess-us
gchemutils graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
gdma
getdp math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
ghemical graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
ghmm
gnudatalanguage math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
gpaw-setups
gramps */*: Fix ENOTIME: return my ports to the pool 2021-05-22 10:13:01 +08:00
grib_api
gromacs
gsmc
gtamsanalyzer
h5utils
h5z-zfp
harminv
hdf science/hdf: add back the previously removed powerpc workaround 2021-06-16 22:33:27 +00:00
hdf5
hdf5-18
healpix
hepmc3
highfive
hypre science/hypre: Update 2.21.0 -> 2.22.0 2021-06-23 12:37:54 -07:00
iboview graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
InsightToolkit */*: Fix ENOTIME: return my ports to the pool 2021-05-22 10:13:01 +08:00
isaac-cfd
jdftx math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
jmol science/jmol: Update 14.31.41 -> 14.31.42 2021-06-27 01:29:52 -07:00
jstrack
kalzium */*: Update KDE Gear to 21.04.3 2021-07-10 01:36:09 +02:00
kim-api
kst2 math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
lammps science/lammps: Update 14May2021 -> 2Jul2021 2021-07-02 17:53:21 -07:00
lamprop
latte
libaec science/libaec: Update to 1.0.5 2021-06-21 04:45:42 +08:00
libccp4
libcint science/libcint: Fix tests by adding the science/py-pyscf dependency 2021-06-05 13:26:34 -07:00
libctl
libecpint
libefp
libgeodecomp
libghemical graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
libgridxc
libint
libint2
libkml devel/googletest: update to 1.11.0 2021-06-12 03:25:45 +00:00
liblinear
libmsym
liboglappth graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
libquantum
libssm
libsvm
libsvm-python
libvdwxc
libxc
liggghts
luscus graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
madness
maeparser
massxpert
mbdyn math/suitesparse: adapt dependency lines after modularization 2021-05-25 12:00:10 +02:00
mcstas
mcstas-comps
mcxtrace
mcxtrace-comps
mdynamix
medit graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
metaphysicl
minc2
mmdb2
mmtf-cpp
mol2ps
molgif
molscript graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
molsketch
mpb
mpqc
msms
multiwfn
namd
nest science/nest: fix build on powerpc 2021-06-30 20:37:50 +00:00
netcdf
netcdf-cxx
netcdf-fortran
nifticlib
nwchem
nwchem-data
octopus math/gsl: update to 2.7 2021-06-16 21:31:27 +02:00
openbabel science/coordgenlibs: Update 1.4.2 -> 2.0.3 2021-06-11 02:57:59 -07:00
openkim
openkim-models
opensim-core graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
opensph *: Bump PORTREVISION for openexr update 2021-07-03 07:15:12 +02:00
opsin
orthanc science/orthanc: Revive port 2021-06-08 14:15:17 -04:00
p5-Algorithm-SVMLight
p5-Chemistry-3DBuilder
p5-Chemistry-Bond-Find
p5-Chemistry-Canonicalize
p5-Chemistry-Elements
p5-Chemistry-File-MDLMol
p5-Chemistry-File-Mopac
p5-Chemistry-File-PDB
p5-Chemistry-File-SLN
p5-Chemistry-File-SMARTS
p5-Chemistry-File-SMILES
p5-Chemistry-File-VRML
p5-Chemistry-File-XYZ
p5-Chemistry-FormulaPattern
p5-Chemistry-InternalCoords
p5-Chemistry-Isotope
p5-Chemistry-MacroMol
p5-Chemistry-MidasPattern
p5-Chemistry-Mok
p5-Chemistry-Mol science/p5-Chemistry-Mol: Update to 0.38 2021-05-31 03:55:14 +08:00
p5-Chemistry-Pattern
p5-Chemistry-Reaction
p5-Chemistry-Ring
p5-Geo-BUFR
p5-Geo-Coordinates-Converter
p5-Geo-Coordinates-Converter-iArea
p5-Geo-WebService-Elevation-USGS science/p5-Geo-WebService-Elevation-USGS: Update to 0.119 2021-05-31 03:55:16 +08:00
p5-Mcstas-Tools
p5-PerlMol
p5-Physics-Unit
packmol
pagmo2
paje
pcmsolver
PETSc
plumed
pnetcdf
pulseview
py-abipy
py-access
py-asdf science/py-asdf: Update to 2.8.1 2021-06-15 01:40:23 +08:00
py-ase science/py-ase: Update 3.21.1 -> 3.22.0 2021-06-28 01:08:47 -07:00
py-avogadrolibs science/py-avogadrolibs: Update 1.93.0 -> 1.94.0 2021-06-04 10:56:40 -07:00
py-cdo
py-chainer science/py-chainer: Update 7.7.0 -> 7.8.0 2021-06-20 10:47:20 -07:00
py-chainer-chemistry
py-chempy
py-coards science/py-coards: Cosmetic change 2021-05-12 05:47:18 +08:00
py-DendroPy
py-dipy
py-dlib
py-eccodes science/py-eccodes: Update to 1.3.3 2021-06-21 00:16:03 +08:00
py-esda
py-geolinks
py-geomet
py-geometer
py-geometric
py-gpaw
py-GPy science/py-GPy: Update 1.9.9 -> 1.10.0 2021-05-22 01:33:34 -07:00
py-GPyOpt
py-gsd
py-h5json
py-h5py science/py-h5py: Update to 3.3.0 2021-07-01 04:43:44 +08:00
py-inequality
py-jupyter_jsmol science/py-jupyter_jsmol: Remove PY_PYGMENTS 2021-06-21 00:16:17 +08:00
py-kim-query
py-kinematics
py-kliff science/py-kliff: Update 0.2.0 -> 0.2.2 2021-05-25 23:59:06 -07:00
py-liac-arff
py-libpysal
py-lifelines
py-MDAnalysis
py-MDAnalysisTests
py-mdp
py-mmtf-python
py-molmod
py-moltemplate science/py-moltemplate: Update 2.19.10 -> 2.19.11 2021-06-22 14:54:17 -07:00
py-netCDF4
py-netcdf-flattener
py-nibabel
py-nilearn science/py-nilearn: Update 0.7.1 -> 0.8.0 2021-06-18 10:16:59 -07:00
py-obspy
py-oddt
py-OpenFermion
py-openpiv
py-paida
py-paramz
py-phono3py science/py-phono3py: Remove unnecessary build dependency on math/lapacke 2021-06-08 20:32:22 -07:00
py-phonopy science/py-phonopy: Update 2.9.3 -> 2.10.0 2021-06-11 02:57:58 -07:00
py-pupynere
py-pyaixi
py-pycsw graphics/py-pyproj: Update to 3.1.0 2021-05-27 02:59:53 +08:00
py-pydicom
py-PyFR science/py-PyFR: Update 1.12.0 -> 1.12.1 2021-06-05 11:53:10 -07:00
py-pygeodesy science/py-pygeodesy: Update to 21.6.16 2021-06-21 04:46:40 +08:00
py-pygeometa
py-pygmo2
py-pymatgen science/py-pymatgen: Update 2022.0.8 -> 2022.0.9 2021-06-22 14:54:17 -07:00
py-pymol graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
py-pyosf
py-pysal
py-pyscf science/py-pyscf: New port: Python module for quantum chemistry 2021-06-05 13:01:38 -07:00
py-pyteomics science/py-pyteomics: Change RUN_DEPENDS from py-sqlalchemy13 to py-sqlalchemy14 2021-05-12 05:47:18 +08:00
py-qcelemental science/py-qcelemental: Update 0.19.0 -> 0.20.0 2021-05-17 09:16:55 -07:00
py-qcengine science/py-qcengine: Update 0.18.0 -> 0.19.0 2021-05-17 09:16:55 -07:00
py-qspin
py-quantities
py-rmf
py-rmsd
py-ruffus
py-scikit-fuzzy
py-scikit-learn
py-scikit-optimize
py-scikit-sparse math/suitesparse: adapt dependency lines after modularization 2021-05-25 12:00:10 +02:00
py-scimath
py-scipy science/py-scipy: Fix required python version 2021-06-01 11:12:07 +08:00
py-scoria
py-segregation science/py-segregation: Update to 2.0.0 2021-06-21 00:16:03 +08:00
py-segyio
py-SimpleSpectral
py-skrebate
py-spaghetti science/py-spaghetti: Update to 1.6.0 2021-06-15 01:40:25 +08:00
py-spglib
py-tensorflow devel/grpc: Update to 1.38.0 2021-05-26 20:54:17 +08:00
py-tobler
py-veusz
pybrain
pynn
qbox
qcl
qiskit-aer
qmcpack
quantum-espresso
quantum-espresso-pseudopotentials
qwalk
R-cran-AMORE
R-cran-bayesm
R-cran-cmprsk
R-cran-DCluster
R-cran-e1071 science/R-cran-e1071: Update to 1.7-7 2021-05-26 13:01:42 +09:00
R-cran-eco
R-cran-Epi
R-cran-epicalc
R-cran-etm
R-cran-FAdist
R-cran-fastICA
R-cran-kernlab
R-cran-snow
R-cran-som
R-cran-udunits2
rdkit science/rdkit: Update 2020.09.5 -> 2021.03.3 2021-06-11 02:57:59 -07:00
rmf
rubygem-ai4r
rubygem-cdo
rubygem-rgeo
rubygem-rgeo-geojson
rubygem-rgeo-proj4 science/rubygem-rgeo-proj4: Update to 3.0.1 2021-05-12 05:47:29 +08:00
rubygem-rgeo-shapefile
rubygem-ruby-dcl
rubygem-ruby-netcdf
scidavis graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
segyio
shelxle science/shelxle: Update 1.0.1275 -> 1.0.1278 2021-06-30 10:47:13 -07:00
siesta science/siesta: Broken on aarch64, powerpc* due to lack of IEEE754 support in gcc 2021-05-18 21:07:41 -07:00
sigrok-cli
sigrok-firmware
sigrok-firmware-fx2lafw
sigrok-firmware-utils
silo
simbody graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
simgrid science/simgrid: enable libunwind on armv7 2021-06-28 20:27:33 +00:00
simint
simlib
simsmith
smoldyn science/smoldyn: Update 2.65 -> 2.66 2021-06-20 10:58:51 -07:00
sparta
spglib
step */*: Update KDE Gear to 21.04.3 2021-07-10 01:36:09 +02:00
svmlight
szip
teem
tfel
tfel-edf
thermofun science/thermofun: Update 0.3.7 -> 0.3.8 2021-06-28 15:46:19 -07:00
tinker science/tinker: Update 8.9.2 -> 8.9.3 2021-08-17 01:22:38 -07:00
udunits
v_sim graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
vipster graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
vmd graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
voro++
votca
wannier90
wwplot
wxmacmolplt graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xcfun science/xcfun: fix build on GCC-based systems 2021-06-07 06:38:43 -05:00
xcrysden graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xdrawchem graphics/mesa-libs: Bump reverse deps for libglvnd 2021-06-22 11:53:08 -07:00
xtb
yoda
Makefile science/csvtk: Cross-platform and ultrafast toolkit for CSV/TSV processing 2021-06-18 16:28:21 -05:00